SCHEMBL12112197

SCHEMBL12112197

Cc1ccc(Cn2c3ncnc4c(ncn4Cc4ccc(F)cc4)c-3nc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ SLC29A1 Q99808 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ USP2 O75604 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ RGS4 P49798 1/20 0.40
▸ RGS8 P57771 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13394054 0.96 SLC29A1 (0.47) SLC29A1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL12112160 0.94 PDE10A (0.48) MEN1KMT2APDE10ASLC29A1CYP1A2
SCHEMBL12112171 0.90 MEN1 (0.47) MEN1KMT2APDE10ASLC29A1CYP1A2
SCHEMBL12112214 0.89 PDE10A (0.44) PDE10ASLC29A1
SCHEMBL12112177 0.89 PDE10A (0.44) MEN1KMT2APDE10ASLC29A1CYP1A2
SCHEMBL12112206 0.89 PDE10A (0.47) PDE10ASLC29A1
SCHEMBL12112180 0.89 PDE10A (0.44) MEN1KMT2APDE10ASLC29A1CYP1A2
SCHEMBL12112183 0.89 PDE10A (0.44) MEN1KMT2APDE10ASLC29A1CYP1A2
SCHEMBL12112179 0.89 PDE10A (0.44) MEN1KMT2APDE10ASLC29A1CYP1A2
SCHEMBL12112200 0.89 SLC29A1 (0.46) MEN1KMT2APDE10ASLC29A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — US disclosed
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof HOSMANE, RAMACHANDRA S. 2011-11-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 MEN1 3113/4885KMT2A 1264/4885PDE10A 3839/4885
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE MEN1 879/4885KMT2A 1165/4885PDE10A 1993/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 MEN1 3113/4885KMT2A 1264/4885PDE10A 3839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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